N-[2-[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide

Systemtic Name: N-[2-[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide Openeye Name: N-[2-[3-(4-ethoxyphenyl)-6-oxo-pyridazin-1-yl]ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide CAS Name: N-[2-[3-(4-ethoxyphenyl)-6-oxo-1-pyridazinyl]ethyl]-4-methyl-3,5-dinitrobenzenesulfonamide IUPAC Name: N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-3,5-dinitrobenzenesulfonamide Traditional Name: N-[2-(6-keto-3-p-phenetyl-pyridazin-1-yl)ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide Formula: C21H21N5O8S MolecularWeight: 503.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCNS(=O)(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCNS(=O)(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O8S/c1-3-34-16-6-4-15(5-7-16)18-8-9-21(27)24(23-18)11-10-22-35(32,33)17-12-19(25(28)29)14(2)20(13-17)26(30)31/h4-9,12-13,22H,3,10-11H2,1-2H3